N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide

C15H19BrN2OS — CID 61124988

IUPACN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
SMILESNC(=S)C(NC(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2OS/c16-12-8-4-7-11(9-12)15(19)18-13(14(17)20)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2,(H2,17,20)(H,18,19)
InChIKeyWWJRNPVLEFXCIS-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.41
Rot. Bonds4

About N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide (PubChem CID 61124988) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
PubChem CID61124988
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide
SMILESNC(=S)C(NC(=O)c1cccc(Br)c1)C1CCCCC1
InChIInChI=1S/C15H19BrN2OS/c16-12-8-4-7-11(9-12)15(19)18-13(14(17)20)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2,(H2,17,20)(H,18,19)
InChIKeyWWJRNPVLEFXCIS-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-methoxybenzamide
CID 61123002
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromo-5-chlorobenzamide
CID 107938934
N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)-3-bromobenzamide
CID 77039302
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)pyridine-3-carboxamide
CID 61123796
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-bromo-3-fluorobenzamide
CID 81499388
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-4-fluoro-3-methylbenzamide
CID 63210336
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-bromo-3-hydroxybenzamide
CID 114103923
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-4-bromo-3-chlorobenzamide
CID 81296092
N-(2-amino-1-cyclopropyl-2-sulfanylideneethyl)-3-bromo-4-chlorobenzamide
CID 107999073
1-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(3-methylphenyl)urea
CID 61124232
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-chlorobenzamide
CID 61123998
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-6-methylpyridine-2-carboxamide
CID 61123788

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide?
The IUPAC name of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide (CID 61124988) is N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide.
What is the SMILES notation for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide?
The canonical SMILES for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide is NC(=S)C(NC(=O)c1cccc(Br)c1)C1CCCCC1.
What is the InChIKey of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide?
The InChIKey is WWJRNPVLEFXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c16-12-8-4-7-11(9-12)15(19)18-13(14(17)20)10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2,(H2,17,20)(H,18,19).
What are the key properties of N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide?
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide has a molecular weight of 355.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-bromobenzamide is sourced from PubChem (CID 61124988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).